SCHEMBL13950047

SCHEMBL13950047

CC1=NC2=C(C1)c1cc(C)ccc1NCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ NISCH Q9Y2I1 1/20 0.36
▸ PARP11 Q9NR21 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ DRD2 P14416 3/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ USP2 O75604 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13950051 0.86 F7 (0.37) PARP10PARP1DRD2DRD4DRD1
SCHEMBL13950045 0.82 BRD4 (0.44) PARP10PARP1NISCHPARP11ALDH1A1
SCHEMBL5546719 0.69 ALDH1A1 (0.58) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL19978083 0.69 PARP10 (0.46) PARP10PARP1NISCHPARP11ALDH1A1
SCHEMBL21160781 0.69 PARP10 (0.42) PARP10PARP1NISCHPARP11ALDH1A1
SCHEMBL25550104 0.65 NISCH (0.53) NISCHALDH1A1MAPTHSD17B10GAA
SCHEMBL8267284 0.65 PARP10 (0.39) PARP10PARP1NISCHPARP11ALDH1A1
SCHEMBL12461 0.64 DRD2 (0.59) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL14255914 0.64 PARP10 (0.40) PARP10PARP1NISCHPARP11ALDH1A1
SCHEMBL14255904 0.64 ALDH1A1 (0.47) PARP10PARP1PARP11ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B PARP10 1060/4885PARP1 1728/4885NISCH 837/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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